2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate

C6H7Cl3O3 — CID 14642567

IUPAC2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate
SMILESO=C(C[C@@H]1CO1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C6H7Cl3O3/c7-6(8,9)3-12-5(10)1-4-2-11-4/h4H,1-3H2/t4-/m1/s1
InChIKeyAVUBQUMOPJYWMQ-SCSAIBSYSA-N
MW233.48 g/mol
LogP1.69
Rot. Bonds3

About 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate

2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate (PubChem CID 14642567) has the molecular formula C6H7Cl3O3 and a molecular weight of 233.48 g/mol. Its IUPAC name is 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate.

Molecular Properties

Compound Name2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate
PubChem CID14642567
Molecular FormulaC6H7Cl3O3
Molecular Weight233.48 g/mol
Exact Mass231.95
IUPAC Name2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate
SMILESO=C(C[C@@H]1CO1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C6H7Cl3O3/c7-6(8,9)3-12-5(10)1-4-2-11-4/h4H,1-3H2/t4-/m1/s1
InChIKeyAVUBQUMOPJYWMQ-SCSAIBSYSA-N
XLogP1.69
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate?
The IUPAC name of 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate (CID 14642567) is 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate.
What is the SMILES notation for 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate?
The canonical SMILES for 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate is O=C(C[C@@H]1CO1)OCC(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate?
The InChIKey is AVUBQUMOPJYWMQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7Cl3O3/c7-6(8,9)3-12-5(10)1-4-2-11-4/h4H,1-3H2/t4-/m1/s1.
What are the key properties of 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate?
2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate has a molecular weight of 233.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate is sourced from PubChem (CID 14642567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).